4-amino-1-[(2R,5R)-5-ethyl-3,4-dihydroxy-3-methyloxolan-2-yl]pyrimidin-2-one

C11H17N3O4 — CID 71083164

IUPAC4-amino-1-[(2R,5R)-5-ethyl-3,4-dihydroxy-3-methyloxolan-2-yl]pyrimidin-2-one
SMILESCC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(C)(O)C1O
InChIInChI=1S/C11H17N3O4/c1-3-6-8(15)11(2,17)9(18-6)14-5-4-7(12)13-10(14)16/h4-6,8-9,15,17H,3H2,1-2H3,(H2,12,13,16)/t6-,8?,9-,11?/m1/s1
InChIKeyBIKJVFSFEDJOGS-JPRQMENOSA-N
MW255.27 g/mol
LogP-0.76
Rot. Bonds2

About 4-amino-1-[(2R,5R)-5-ethyl-3,4-dihydroxy-3-methyloxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,5R)-5-ethyl-3,4-dihydroxy-3-methyloxolan-2-yl]pyrimidin-2-one (PubChem CID 71083164) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-amino-1-[(2R,5R)-5-ethyl-3,4-dihydroxy-3-methyloxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,5R)-5-ethyl-3,4-dihydroxy-3-methyloxolan-2-yl]pyrimidin-2-one
PubChem CID71083164
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-amino-1-[(2R,5R)-5-ethyl-3,4-dihydroxy-3-methyloxolan-2-yl]pyrimidin-2-one
SMILESCC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(C)(O)C1O
InChIInChI=1S/C11H17N3O4/c1-3-6-8(15)11(2,17)9(18-6)14-5-4-7(12)13-10(14)16/h4-6,8-9,15,17H,3H2,1-2H3,(H2,12,13,16)/t6-,8?,9-,11?/m1/s1
InChIKeyBIKJVFSFEDJOGS-JPRQMENOSA-N
XLogP-0.76
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 67331935
4-amino-1-[(2R,3R,4S,5R)-4-deuterio-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 162649490
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 59504127
4-amino-1-[(2R,3R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 66576269
4-amino-1-[(2R,4R,5R)-3,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 54511500
4-amino-1-[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 58855695
4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-3-prop-1-enyloxolan-2-yl]pyrimidin-2-one
CID 143010666
[(2R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]peroxy-(hydroxymethyl)phosphinous acid
CID 58196238
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate;hydrochloride
CID 16747661
propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-[(1-oxo-1-propan-2-yloxypropan-2-yl)amino]phosphoryl]amino]propanoate
CID 123246982
4-amino-1-[(2S,5S)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 59015693
4-amino-1-[(2R,3R,4R,5R)-3-(fluoromethyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 24885222

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,5R)-5-ethyl-3,4-dihydroxy-3-methyloxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,5R)-5-ethyl-3,4-dihydroxy-3-methyloxolan-2-yl]pyrimidin-2-one (CID 71083164) is 4-amino-1-[(2R,5R)-5-ethyl-3,4-dihydroxy-3-methyloxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,5R)-5-ethyl-3,4-dihydroxy-3-methyloxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,5R)-5-ethyl-3,4-dihydroxy-3-methyloxolan-2-yl]pyrimidin-2-one is CC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(C)(O)C1O.
What is the InChIKey of 4-amino-1-[(2R,5R)-5-ethyl-3,4-dihydroxy-3-methyloxolan-2-yl]pyrimidin-2-one?
The InChIKey is BIKJVFSFEDJOGS-JPRQMENOSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-3-6-8(15)11(2,17)9(18-6)14-5-4-7(12)13-10(14)16/h4-6,8-9,15,17H,3H2,1-2H3,(H2,12,13,16)/t6-,8?,9-,11?/m1/s1.
What are the key properties of 4-amino-1-[(2R,5R)-5-ethyl-3,4-dihydroxy-3-methyloxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,5R)-5-ethyl-3,4-dihydroxy-3-methyloxolan-2-yl]pyrimidin-2-one has a molecular weight of 255.27 g/mol, XLogP of -0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,5R)-5-ethyl-3,4-dihydroxy-3-methyloxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 71083164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).